S049-0211 Screening compound: 4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl {1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl} ether

S049-0211 Screening compound: 4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl {1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl} ether
S049-0211 Screening compound: 4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl {1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0211
4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl {1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl} ether

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S049-0211

Molecular Formula

C22H22F3N3O3 (C22 H22 F3 N3 O3)

Compound Name

4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl {1-[4-(trifluoromethyl)benzyl]tetrahydro-1H-pyrrol-3-yl} ether

IUPAC name

n/a

SMILES

COCc1nc(-c(cc2)ccc2OC2CN(Cc3ccc(C(F)(F)F)cc3)CC2)no1

InChI

InChI=1S/C22H22F3N3O3/c1-29-14-20-26-21(27-31-20)16-4-8-18(9-5-16)30-19-10-11-28(13-19)12-15-2-6-17(7-3-15)22(23,24)25/h2-9,19H,10-14H2,1H3/t19-/m1/s1

InChI Key

WFEREYRAFWNHFM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29014218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.23

Polar Surface Area

50.299

Acid Dissociation Constant (pKa)

27.19

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

S049-0211 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S049-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0211?
Check Price and Availability of S049-0211, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S049-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0211
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S049-0211 available by request